%chk=000206997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206997

0 1
O 0.787738 0.269857 0.596144
O -5.300682 -1.007609 0.066358
O -3.703824 -3.395345 0.359758
O -4.023285 1.438737 0.267608
O 0.888494 -1.479027 2.066716
O 2.072097 3.993537 1.365685
O 0.408503 2.633778 1.171263
N 2.605779 -1.754815 -0.209187
N 1.599739 2.894562 1.116163
C 3.069634 -0.479607 0.080127
C 2.116933 0.524443 0.503336
C 4.435632 -0.114186 -0.050037
C -1.209557 -0.872257 0.928085
C 2.534740 1.835716 0.721341
C 4.838163 1.235350 0.205975
C -3.938465 -0.914440 0.285230
C -3.221262 -2.118542 0.457210
C -3.249696 0.318610 0.449698
C -1.847883 -2.100282 0.789606
C -1.886074 0.341860 0.757648
C 3.917442 2.179221 0.567264
C 0.228019 -0.853430 1.297575
C 5.355952 -1.134728 -0.455096
C 4.893563 -2.398244 -0.718279
C 3.488511 -2.670070 -0.590574
C -5.818364 -0.181702 -1.013090
C -5.105900 -3.587554 0.033665
C -3.374071 2.731808 0.411426
H 5.891759 1.495289 0.101522
H -1.323066 -3.046638 0.927307
H -1.334461 1.282644 0.865479
H 4.205474 3.221358 0.756552
H 6.413767 -0.884912 -0.546965
H 5.562630 -3.201734 -1.023910
H 3.101959 -3.673909 -0.813796
H -5.764152 0.876913 -0.727014
H -6.857410 -0.521976 -1.074823
H -5.271532 -0.372165 -1.938235
H -5.309340 -3.210513 -0.972184
H -5.738716 -3.085869 0.775665
H -5.196172 -4.678391 0.090503
H -2.983706 2.849789 1.427735
H -4.209216 3.418145 0.226723
H -2.585892 2.848829 -0.338674


%chk=000206997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206997

0 1
O 0.824205 0.426039 0.582030
O -5.396233 -0.938322 0.128303
O -3.885921 -3.304000 1.064067
O -4.007197 1.420270 -0.315910
O 0.910550 -1.669732 1.668059
O 2.422522 3.365536 2.991150
O 0.682854 2.932112 1.582684
N 2.517976 -1.292291 -0.811359
N 1.885756 2.727385 1.999620
C 3.084832 -0.266122 -0.074721
C 2.194257 0.630262 0.625255
C 4.511330 -0.044223 -0.002056
C -1.208613 -0.818263 0.775443
C 2.738729 1.738726 1.302309
C 5.021177 1.074726 0.733037
C -4.002547 -0.898474 0.291760
C -3.324719 -2.057477 0.778881
C -3.252480 0.307614 0.086539
C -1.931676 -2.002358 1.022444
C -1.865061 0.349167 0.305839
C 4.150942 1.952813 1.366946
C 0.240877 -0.819758 1.060769
C 5.355353 -0.972321 -0.694954
C 4.778719 -2.020671 -1.412912
C 3.350169 -2.130932 -1.453630
C -5.940769 -0.562830 -1.196429
C -5.318368 -3.602958 0.894440
C -3.301707 2.704652 -0.426446
H 6.103121 1.236818 0.785174
H -1.425603 -2.896953 1.394570
H -1.283256 1.260237 0.160245
H 4.511224 2.813880 1.935286
H 6.442782 -0.844714 -0.654053
H 5.392959 -2.749183 -1.950587
H 2.875909 -2.931038 -2.033456
H -5.725609 0.494290 -1.417478
H -7.025511 -0.729810 -1.113105
H -5.514952 -1.213950 -1.984471
H -5.619446 -3.543457 -0.166310
H -5.946298 -2.922742 1.490865
H -5.412282 -4.639516 1.255039
H -2.827215 2.981332 0.533316
H -4.081862 3.435410 -0.684941
H -2.535114 2.673328 -1.223748


